2-(Dimethylamino)-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-(Dimethylamino)-3-phenylpropanoic acid
• CAS No.: 24268-81-3
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.246
• European Community (EC) Number: 820-785-0
• DSSTox Substance ID: DTXSID50938546
• Nikkaji Number: J2.896.870A
• ChEMBL ID: CHEMBL336528
• Mol file: 24268-81-3.mol

Synonyms:2-(dimethylamino)-3-phenylpropanoic acid;24268-81-3;Alanine, N,N-dimethyl-3-phenyl-, L-;N-Dimethylphenylalanin;SCHEMBL121727;CHEMBL336528;DTXSID50938546;AKOS008104922;2-(dimethylamino)-3-phenylpropanoicacid;KS-10410;SY105182;FT-0697828;EN300-60638;Z448003214;InChI=1/C11H15NO2/c1-12(2)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14

Chemical Property of 2-(Dimethylamino)-3-phenylpropanoic acid

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(CC1=CC=CC=C1)C(=O)O

Technology Process of 2-(Dimethylamino)-3-phenylpropanoic acid

There total 5 articles about 2-(Dimethylamino)-3-phenylpropanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

methanol (67-56-1) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → DL-N,N-dimethylphenylalanine (24268-81-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; at 20 ℃; for 72h; under 760.051 Torr;

DOI:10.1039/c0cc01487g

Reference yield: 37.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → DL-N,N-dimethylphenylalanine (24268-81-3)

Guidance literature:

palladium on activated charcoal; In water; for 45h; under 2280 Torr; Ambient temperature;

Reference yield:

jubanine-B → Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + DL-N,N-dimethylphenylalanine (24268-81-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0031-9422(00)84548-3

upstream raw materials:

formaldehyd

Phenylalanine

2-oxo-3-(phenyl)propionic acid

dimethyl amine

Downstream raw materials:

(+/-)-N,N-dimethylphenylalanine ethyl ester

2-Dimethylamino-3-phenyl-propionic acid isopropyl ester

DL-N-ethoxycarbonyl-N-methylphenylalanine isopropyl ester

2-(2,2,3,3,3-Pentafluoro-propionylamino)-3-phenyl-propionic acid isopropyl ester